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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Atomistic Origin of Microsecond Carrier Lifetimes at Perovskite Grain Boundaries: Machine Learning-Assisted Nonadiabatic Molecular Dynamics

The polycrystalline nature of perovskites, stemming from their facile solution-based fabrication, leads to a high density of grain boundaries (GBs) and point defects. However, the impact of GBs on perovskite performance remains uncertain, with contradictory statements found in the literature. We developed a machine learning force field, sampled GB structures on a nanosecond time scale, and performed nonadiabatic (NA) molecular dynamics simulations of charge carrier trapping and recombination in stoichiometric and doped GBs. The simulations reveal long, microsecond carrier lifetimes, approaching experimental data, stemming from charge separation at the GBs and small NA coupling, 0.01–0.1 meV. Stoichiometric GBs exhibit transient trap states, which, however, are not particularly detrimental to the carrier lifetime. Halide dopants form interstitial defects in the bulk, but have a stabilizing influence on the GB structure by passivating undersaturated Pb atoms and reducing the transient trap state formation. On the contrary, excess Pb destabilizes GBs, allowing formation of persistent midgap states that trap charges. Still, the charge carrier lifetime reduces relatively little, because the midgap states decouple from the bands, and charges are more likely to escape back into bands upon a GB structural fluctuation. The atomistic study into the structural dynamics of perovskite GBs and its influence on charge carrier trapping and recombination provides valuable insights into the complex properties of perovskites and the intricate role of GBs in the material performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Layer Number Dependence of Chirality and Spin Polarized Lifetime in Chiral 2D Halide Perovskites

Chiral metal halide perovskite semiconductors (CMHS) are fascinating semiconductors with unique chiroptical properties and spin-polarized charge transport. Achieving long spin lifetimes and high carrier mobility concurrently is essential to realize the true potential of CMHS in manipulating charge, spin, and light. While conventional monolayer n = 1 CMHS possess appreciable anisotropy factors of circular dichroism (g CD ) and photoluminescence (g lum ), imparting chirality to quasi-2D CMHS (n > 1) with enhanced carrier mobilities is underexplored. Herein, we systematically investigate the layer number (n-value) dependence and emergent trade-offs in chiroptical properties, spin-relaxation times, and carrier mobilities in chiral quasi-2D (R/S-MPEA) 2 MA n-1 Pb n I 3n+1 single crystals and thin films (R/S-MPEA: R/S-β-methylphenylethylammonium; MA: methylammonium; n = 1–3). Films with n = 2 exhibited the highest g CD of 8 × 10 –3 , an order of magnitude larger than their n = 1 and n = 3 counterparts. On the other hand, n = 3 films demonstrated enhanced spin lifetimes up to 15 ps along with increased carrier mobility up to 11.6 cm 2 V –1 s –1 . As a result, photodiode-type photodetectors based on n = 3 CMHS reveal high specific detectivity and superior discrimination of circularly polarized light, outperforming n = 1 and 2. These findings highlight the potential of quasi-2D CMHS as tunable, high-performance platforms with longer spin lifetime and diffusion length, enabling new functionalities.

14 SOLAR ENERGY↗
DOE OSTI2025

Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu( I ) photosensitizers supported by salicylaldimine and isocyanide ligands

The design of earth-abundant molecular photosensitizers with desirable photophysical properties and good excited-state reactivity is critical for sustainable photochemical applications. Herein, we report a new family of three-coordinate heteroleptic Cu(I) complexes supported by monoanionic salicylaldimine (N^O) chelating ligands and aryl isocyanides. By systematically tuning the steric bulk on each ligand, we establish clear structure–property relationships that govern the excited-state lifetimes and photocatalytic performance metrics of these complexes. Increasing steric congestion on the salicylaldimine ligand, which contributes to the HOMO, results in faster nonradiative decay and shortens excited-state lifetimes. In contrast, introducing steric bulk on the isocyanide ligand, where the LUMO is primarily localized, suppresses nonradiative decay, most likely by inhibiting excited-state geometric relaxation, thereby extending the lifetime up to 375 ns. These photophysical trends correlate directly with performance in triplet–triplet energy transfer (TTET) photocatalysis, where longer-lived complexes enable faster E/Z isomerization of trans-stilbene. This work demonstrates that remote steric modulation of ligand frameworks offers a simple yet powerful strategy for tuning the excited-state dynamics and catalytic properties of this new class of Cu(I) photosensitizers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Highly-destabilized ligand field excited states of iron carbene complexes and their relation to charge transfer state lifetimes

Lifetimes of photoexcited charge transfer (CT) states in transition metal chromophores are influenced by low-lying ligand field (LF) excited states, especially for 3d metal complexes. To manipulate interactions between LF and CT states, it is important to be able to control LF excited state energies using tunable synthetic variables. In this report, we use Fe 2p3d L 3 -edge resonant inelastic X-ray scattering (RIXS) to measure LF excited state energies of three homoleptic iron chromophores coordinated by strong-field N-heterocyclic carbenes (NHCs). We investigate the effect of oxidation state and ligand scaffold on LF energies and covalency parameters. A cyclometalated bis(NHC) ligand affords both high LF excited state energies (and thus high 10 Dq) as well as high metal–ligand covalency compared to other iron complexes with very strong-field ligands. However, for the set of complexes investigated, we do not observe meaningful correlation between the LF excited state energies and the CT excited state lifetimes. These results illustrate that targeting long-lived CT excited states necessitates control of multiple molecular excited state properties, with destabilization of the LF excited state energies proving necessary, but insufficient, to control the CT excited state lifetime in Fe carbene complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Lattice anharmonicity effects in fluorite oxide single crystals and anomalous increase in phonon lifetime in ceria at elevated temperature

Here, we investigate the temperature dependence of the frequency and linewidth of the triply degenerate T 2g zone-centered optical phonon in flux-grown ceria and hydrothermally synthesized thoria single crystals from room temperature to 1273 K using Raman spectroscopy. Both crystals exhibit an expected increase in the phonon linewidth with temperature due to enhanced phonon–phonon scattering. However, ceria displays an anomalous linewidth reduction in the temperature range of 1023–1123 K. First-principles phonon linewidth calculations considering cubic and quartic phonon interactions within temperature-independent phonon dispersion fail to describe this anomaly. A parameterization of the temperature-dependent second-order interatomic force constants based on previously reported phonon dispersion measured at room and high temperatures predicts a deviation from the monotonic linewidth increase, albeit at temperatures lower than those observed experimentally for ceria. The qualitative agreement in the trend of temperature-dependent linewidth suggests that lattice anharmonicity-induced phonon renormalization plays a role in phonon lifetime. Specifically, a change in the overlap between softened acoustic and optical branches in the dispersion curve reduces the available phonon scattering phase space of the Raman-active mode at the zone center, leading to an increased phonon lifetime within a narrow temperature interval. These findings provide insights into higher-order anharmonic interactions in ceria and thoria, motivating further investigations into the role of anharmonicity-induced phonon renormalization on phonon lifetimes at high temperatures.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Lifetime study of the ColdADC for the Deep Underground Neutrino Experiment

ColdADC is a custom ASIC digitizer implemented in 65 nm CMOS technology using specialized techniques for long-term reliability in cryogenic environments. ColdADC was developed for use in the DUNE Far Detector complex, which will consist of four liquid argon time projection chambers. Each contains 17 kilotons liquid argon as the target material in order to measure neutrino oscillations. Approximately 40,000 ColdADC ASICs will be installed for DUNE in the first two large detectors and will be operated at cryogenic temperatures during the experiment without replacement. The lifetime of the ColdADC is a critical parameter affecting the data quality and physics sensitivity of the experiment. A measurement of the lifetime of the ColdADC was carried out, and the results shown in this paper assure orders of magnitude longer lifetime of the ColdADC than the planned operation time of the detectors.

Front-end electronics for detector readout↗
DOE OSTI2026

Electric Field Control of Phonon Lifetimes and Thermal Conductivity in Relaxor-Based Ferroelectric

The demand for high energy efficiency drives intense interest in thermal-management technology. Phonons are a major contributor to heat transfer in solids and controlling them through external stimuli is a key challenge for thermal management due to their weak interactions with applied fields. We report significant changes in phonon transport with the application of an electric field over a broad temperature range in a relaxor-based ferroelectric using neutron-scattering and -transport measurements. Phonon lifetimes increase along the applied poling field and this results in a tripling of the thermal conductivity in that direction. We also observe a suppression of nanoscale antiferroelectric fluctuations along the poling direction and argue that this increases the phonon lifetimes. Our results highlight a promising yet underexplored route to realistic solid-state heat switching from electric-field-modified nanostructures altering the phonon lifetimes in disordered functional materials.

Phonons↗
DOE OSTI2024

Charge lifetime improvement of the Continuous Electron Beam Accelerator Facility photogun with a biased anode

GaAs photocathodes in dc high-voltage photoguns are highly susceptible to ion back-bombardment, which reduces the photocathode quantum efficiency and limits the useful operating lifetime for producing polarized electron beams. This paper demonstrates that applying a small positive bias to the photogun anode can significantly suppress ion back-bombardment and increase charge lifetime. This technique was studied extensively using the Continuous Electron Beam Accelerator Facility photogun, where highly polarized electron beams created using a strained-superlattice GaAs / GaAsP photocathode were used and charge lifetimes improved by almost a factor of 2. A new simulation code was developed to model ion production and tracking in order to better understand and explain the factors that led to the performance improvement. Results of the experiments and simulations are discussed in detail. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Measurement of the free neutron lifetime in a magneto-gravitational trap with in situ detection

Here, in this study, we publish three years of data from the UCNτ experiment performed at the Los Alamos Ultracold Neutron Facility at the Los Alamos Neutron Science Center. These data are in addition to our previously published data. Our goals in this paper are to better understand and quantify systematic uncertainties and to improve the lifetime statistical precision. We previously reported a value from our 2017–2018 data for the neutron lifetime of 877.75 ± 0.28 (statistical) +0.22–0.16 (systematic) s. We have collected an additional three years of data reported here for the first time. When all the data from UCNτ are averaged for 2017, 2018, 2020, 2021, and 2022, we report an updated value for the lifetime of 877.83 ± 0.22 (statistical)+0.20–0.17 (systematic) s. We utilized improved monitor detectors, reduced our correction due to UCN upscattering on residual gas, and employed four different UCN detector geometries both to reduce the correction required for rate dependence and to explore potential contributions due to phase space evolution.

Cabibbo-Kobayashi-Maskawa matrix↗
DOE OSTI2024

Constraints on light dark sector particles from lifetime difference of heavy neutral mesons

Heavy meson decays with missing energy in the final state offer interesting avenues to search for light invisible new physics such as dark matter (DM). In this context, we show that such new physics (NP) interactions also affect lifetime difference in neutral meson-antimeson mixing. We consider general dimension-six effective quark interactions involving a pair of DM particles and calculate their contributions to lifetime difference in beauty and charm meson systems. We use the latest data on mixing observables to constrain the relevant effective operators. We find that lifetime differences provide novel and complementary flavor constraints compared to those obtained from heavy meson decays. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2026

Lifetimes of negative parity states in 162 Dy

Lifetimes of excited states in 162 Dy were measured using the (n,n’$γ$) reaction with the Doppler-Shift Attenuation Method (DSAM) at the University of Kentucky’s Accelerator Laboratory. A total of eighteen level lifetimes were obtained, including eleven negative-parity states, seven of which are new. These measurements significantly expand the experimental database of transition probabilities for negative-parity bands in the well-deformed rare earth region of nuclei. The extracted B(E1) and B(E2) values reveal enhanced interband E1 (10 -3 or 10 -4 ) W.u. and E2 strengths (several W.u.) between negative- and positive parity bands, particularly for the K π = $2^{-}_{1,2}$ bands decaying to the K π = $2^+_γ$ band, consistent with signatures of octupole-quadrupole coupling. In contrast, the K π = $0^{-}_1$ and K π = $1^{-}_3$ bands, which exhibit strong E1 transitions to the ground state band, are indicative of octupole-vibrational excitations built on the deformed ground state. Comparison of transition rates with Alaga rules supports this interpretation and distinguishes collective excitations from likely quasi-particle states. These new results establish 162 Dy as the most extensively characterized rare-earth nucleus for negative parity lifetimes and provide critical experimental benchmarks for theoretical models.

Aprahamian, A. [University of Notre Dame, IN (Unit↗
DOE OSTI2025

Evaluating Microchannel Heat Exchanger Lifetime for Concentrating Solar Power Applications Research Performance Progress Report (RPPR-1)

Microchannel heat exchanger technology is being pursued for next generation CSP concepts for primary power cycle heat addition and power cycle heat recuperation due to the high heat transfer coefficients and pressure containment advantages of small sCO 2 channels. The economics of future CSP plants as dictated by the SETO 2020 or 2030 targets depend on a heat exchanger with a 30-year lifetime (resisting creep, fatigue, corrosion, erosion) and operational characteristics such as fast ramping and the ability to withstand thermal shock. However, the lifetime and operational limits of microchannel heat exchangers operating at high temperatures, particularly those constructed from high-nickel alloys, are not well known. This uncertainty has resulted in heat exchanger vendors not being able to accurately forecast heat exchanger lifetime as required by customers, specify operational limits as required by process engineers to prevent premature heat exchanger failure, or overdesign heat exchanger which leads to higher cost than necessary.

14 SOLAR ENERGY↗
DOE OSTI2026

Degradation Mode Identification by Photocarrier Lifetime Spectroscopy on Devices and Test Structures

In this presentation, I examine the basic concepts of the device physics that can be used to distinguish various degradation and recovery modes on a cell level. The known degradation modes (bulk LeTID and LID, UVID, etc.) are due to defects and impurities that cause the photocarrier recombination according to Shockley-Reed-Hall (SRH) statistics. The SRH recombination rate strongly depends on the balance of electron and hole capture rates into the defects, which in turn, are governed by their local concentrations. The strongest recombination takes place at approximately equal concentrations of electrons and holes, while at low injection conditions (when one type of carrier dominates) the SRH recombination is suppressed. For cell degradation modes that affect the passivated interface (UVID, H-induced TOPCon contact degradation) the defects are at the interface under low-injection conditions due to either high local doping or the adjacent built-in charge in the dielectric. This mode is characterized by changes in the "diode prefactor" J01 slope in the inverse lifetime-injection level curve. In contrast, bulk degradation (LeTID, LID) affects bulk lifetime, with J01 slope unchanged. Carrier lifetime - injection level plots therefore serve as clear indicators of different degradation modes and are shown by experimental examples.

14 SOLAR ENERGY↗
DOE OSTI2026

Extending Component Lifetime And Improving Inverter Reliability (ECLAIIR)

Inverter reliability remains one of the most persistent challenges limiting the performance, availability, and economic viability of utility‑scale photovoltaic (PV) plants. Industry data consistently show that inverters account for the highest share of corrective maintenance events and unplanned outages across PV fleets. These failures result in energy losses, increased O&M costs, and reduced confidence in long‑term solar asset performance. Motivated by these challenges, this project—Extending Component Lifetime and Improving Inverter Reliability (ECLAIIR)—was undertaken to systematically investigate inverter degradation and failure mechanisms, develop predictive maintenance capabilities, and establish data‑driven pathways to improve service life and reduce the Levelized Cost of Energy (LCOE) for large‑scale PV systems. The primary goal of the project was to identify pre‑failure signatures in string inverters using both lab‑based accelerated lifetime testing and field‑based data and to develop predictive maintenance algorithms that can anticipate inverter faults before they occur. Through collaboration with inverter testing laboratory, solar PV plant owner, and failure‑analysis experts, the project advanced the technical understanding of inverter reliability. By instrumenting inverters with thermistors, humidity sensors, power‑quality meters, and acoustic sensors, the research established how multiple sensing modalities can reliably detect deviations from normal behavior hours to days before failure. These findings substantially enhance scientific understanding of inverter failure kinetics and provide the PV industry with the most comprehensive cross‑OEM characterization of early‑stage failure indicators reported to date. Technically, the project demonstrated the effectiveness of predictive maintenance by developing and validating the PreDICT (Predictive Diagnostics of PV Inverters Using Condition Monitoring and Trend Analysis) framework—a multi‑layer diagnostic architecture combining peer‑to‑peer analytics, historical trend modeling, and advanced machine‑learning techniques such as the Sequential Conditional Variational Autoencoder (SCVAE). This predictive model achieved more than 90% accuracy in detecting pre‑failure conditions and provided up to four days of lead time before inverter failure in field scenarios. Economically, the project’s LCOE analysis showed that predictive maintenance can reduce lifetime energy losses and minimize corrective maintenance interventions. Modeling indicated that, depending on inverter failure rates and replacement timelines, predictive maintenance can significantly reduce LCOE impacts associated with inverter downtime: from as high as 19.4% under conventional maintenance strategies to 0.1%–10.17% when predictive analytics are adopted. These results confirm that predictive maintenance is both technically feasible and economically advantageous for utilities and plant operators. The project’s findings also have broad public benefit. By improving inverter reliability and reducing downtime, predictive maintenance directly increases electricity generation from existing PV assets. Enhanced reliability lowers operational costs for utilities, which can translate over time into lower energy costs for consumers. Furthermore, the project’s technical publications, conference presentations, and industry workshops ensure that knowledge gained is shared broadly across the solar industry, supporting workforce development and enabling utilities of all sizes to adopt modern asset‑health monitoring practices. The retrofitting case study and service‑life prediction framework further support informed decision‑making for aging PV fleets, helping operators extend system life and reduce electronic waste. In summary, the ECLAIIR project significantly advanced the state of knowledge on inverter degradation, demonstrated the technical and economic value of predictive maintenance, and delivered actionable tools and insights that support more reliable, cost‑effective, and sustainable PV plant operation. The outcomes of this project will continue to inform utility practices, guide inverter design improvements, and strengthen the long‑term performance of solar assets nationwide.

14 SOLAR ENERGY↗
DOE OSTI2024

Measurement of the $B^0_\mathrm{s}\to J/\psi K^0_\mathrm{S}$ effective lifetime from proton-proton collisions at $\sqrt{s} = 13$ TeV

The effective lifetime of the $ {\textrm{B}}_{\textrm{s}}^0 $ meson in the decay $ {\textrm{B}}_{\textrm{s}}^0\to \textrm{J}/{\uppsi \textrm{K}}_{\textrm{S}}^0 $ is measured using data collected during 2016–2018 with the CMS detector in $ \sqrt{s} $ = 13 TeV proton-proton collisions at the LHC, corresponding to an integrated luminosity of 140 fb$^{−1}$. The effective lifetime is determined by performing a two-dimensional unbinned maximum likelihood fit to the $ {\textrm{B}}_{\textrm{s}}^0 $ meson invariant mass and proper decay time distributions. The resulting value of 1.59 ± 0.07(stat) ± 0.03(syst) ps is the most precise measurement to date and is in good agreement with the expected value.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Harnessing the Spin-Flip Radiative Lifetimes of Optically Addressable Molecular Qubits

Optically addressable molecular qubits based on spin-flip (SF) emissive transitions are promising candidates for quantum technologies due to their sharp luminescence lines and tunable optical-spin interfaces. Yet, the microscopic mechanisms controlling the spin-flip radiative lifetime of SF emitters, a key property for efficient spin readout, remain largely unexplored. Here, we present a computational study of several Cr 4+ and Mo 4+ pseudotetrahedral molecular qubits, and we identify chemical and structural features that influence the transition dipole moment associated with the SF emission, which, in turn, governs the SF radiative lifetime. We find that the magnitude of the dipole moment is governed by the multireference character of the spin-flip excited-state wave function, which can be modulated by tuning the energy separation between the d orbitals of the metal and the spin-pairing energy. Both parameters are sensitive to molecular symmetry, metal–ligand bond covalency, and bond anisotropy and leave room for modulation via ligand and metal design, as well as applied strain, which is relevant for sensing applications. Our findings provide a mechanistic framework for understanding and tuning the spin-flip radiative behavior of molecular qubits and SF emitters that may guide future advances in quantum information science.

molecular qubits↗
DOE OSTI2024

As‐Doped Polycrystalline CdSeTe: Localized Defects, Carrier Mobility and Lifetimes, and Impact on High‐Efficiency Solar Cells

Abstract The efficiency potential for single‐junction photovoltaics (PV) is described by the detailed balance model, which requires the elimination of nonradiative recombination and perfect minority carrier collection. Improvements in GaAs, Si, and perovskite PV follow this model. It might be more complex for CdTe, a leading thin‐film PV technology. While lifetime, passivation, and doping goals for 25% efficient CdTe solar cells are largely reached, voltage is ≈20% below the detailed balance limit. Why is that? In Se‐alloyed CdSe x Te 1‐x (Se is required for >20% efficiency) additional losses can occur due to electrostatic and bandgap fluctuations and due to electronic trap states. To understand mechanisms limiting CdSeTe solar cell performance and to suggest improvements, carrier dynamics, and transport in CdSe x Te 1‐x with variation in Se composition and as doping is analyzed. It is shown that trapping, likely due to anion‐site defects and their complexes, is correlated with low charge carrier mobility of 0.1–0.6 cm 2 (Vs) −1 . Even with 1000 ns charge carrier lifetimes, carrier diffusion length is less than the absorber thickness, reducing efficiency to ≈23%. Device simulations are used to analyze the performance of CdSe x Te 1‐x solar cells; thermodynamic models are not sufficient for absorbers with electronic disorder and trapping.

14 SOLAR ENERGY↗
DOE OSTI2025

The Fermi function and the neutron's lifetime

The traditional Fermi function ansatz for nuclear beta decay describes enhanced perturbative effects in the limit of large nuclear charge Z and/or small electron velocity β. We define and compute the quantum field theory object that replaces this ansatz for neutron beta decay, where neither of these limits hold. We present a new factorization formula that applies in the limit of small electron mass, analyze the components of this formula through two loop order, and resum perturbative corrections that are enhanced by large logarithms. We apply our results to the neutron lifetime, supplying the first two-loop input to the long-distance corrections. Our result can be summarized as τ n x |V ud | 2 [1 + 3λ 2 ] [1 + Δ R ] = $\frac{5263.284(17) s}{1 + 27.04(7) x 10^{-3}}$ with |V ud | the up-down quark mixing parameter, τ n the neutron's lifetime, λ the ratio of axial to vector charge, and Δ R the short-distance matching correction. We find a shift in the long-distance radiative corrections compared to previous work, and discuss implications for extractions of |V ud | and tests of the Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗